Geometry & MOs

Info

ID:	404670
PubChem CID:	135069003
Reduced:	BP2O5C9H22 (1)
Stoich.:	AB2C5D9E22 (1)
Weight, g/mol:	320.098902
ΔH_f, kcal/mol:	-254.82
Dipole, Da:	2.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759745
Charge, e:	0

Chem-info

IUPAC name:

1-diethoxyphosphoryl-1-(2,6-difluorophenyl)but-3-en-1-ol

Drug info:

PubChemData

Smile

[B][P+](C(CC)P(=O)(OC)OC)(OCC)OCC

DOS

IR

Vibrations